4-chloranyl-6-methyl-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid

Systemtic Name: 4-chloranyl-6-methyl-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid Openeye Name: 4-chloro-1-isopentyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid CAS Name: 4-chloro-6-methyl-1-(3-methylbutyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid IUPAC Name: 4-chloro-6-methyl-1-(3-methylbutyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid Traditional Name: 4-chloro-1-isoamyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid Formula: C13H16ClN3O2 MolecularWeight: 281.73804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=NN(C2=N1)CCC(C)C)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=C2C=NN(C2=N1)CCC(C)C)Cl)C(=O)O

InChI

InChI=1S/C13H16ClN3O2/c1-7(2)4-5-17-12-9(6-15-17)11(14)10(13(18)19)8(3)16-12/h6-7H,4-5H2,1-3H3,(H,18,19)